10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine

C31H26N2 — CID 59358314

IUPAC10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
SMILESCc1cc(C)c(-c2cnc3c4ccc(Cc5ccccc5)cc4c4ccccc4n23)c(C)c1
InChIInChI=1S/C31H26N2/c1-20-15-21(2)30(22(3)16-20)29-19-32-31-26-14-13-24(17-23-9-5-4-6-10-23)18-27(26)25-11-7-8-12-28(25)33(29)31/h4-16,18-19H,17H2,1-3H3
InChIKeyQIQDIKFCNSUGBR-UHFFFAOYSA-N
MW426.56 g/mol
LogP7.82
Rot. Bonds3

About 10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine

10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine (PubChem CID 59358314) has the molecular formula C31H26N2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
PubChem CID59358314
Molecular FormulaC31H26N2
Molecular Weight426.56 g/mol
Exact Mass426.21
IUPAC Name10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
SMILESCc1cc(C)c(-c2cnc3c4ccc(Cc5ccccc5)cc4c4ccccc4n23)c(C)c1
InChIInChI=1S/C31H26N2/c1-20-15-21(2)30(22(3)16-20)29-19-32-31-26-14-13-24(17-23-9-5-4-6-10-23)18-27(26)25-11-7-8-12-28(25)33(29)31/h4-16,18-19H,17H2,1-3H3
InChIKeyQIQDIKFCNSUGBR-UHFFFAOYSA-N
XLogP7.82
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl] trifluoromethanesulfonate
CID 140953419
3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine
CID 142744310
3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58162799
7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58163242
iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914
3,16-bis(2,6-dimethylphenyl)-9-[3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610768
9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140950385
3-(2,6-dimethylphenyl)-2,5,16,19-tetrazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
CID 140948797
2-methyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 59358732
3-[2-(2-deuterio-2-methylpropyl)-6-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]imidazo[1,2-f]phenanthridine
CID 157249771
24-(2,6-dimethylphenyl)-22,25-diazahexacyclo[12.11.0.02,11.05,10.015,20.021,25]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene
CID 140949125
9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
CID 143035757

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine?
The IUPAC name of 10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine (CID 59358314) is 10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine?
The canonical SMILES for 10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine is Cc1cc(C)c(-c2cnc3c4ccc(Cc5ccccc5)cc4c4ccccc4n23)c(C)c1.
What is the InChIKey of 10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine?
The InChIKey is QIQDIKFCNSUGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2/c1-20-15-21(2)30(22(3)16-20)29-19-32-31-26-14-13-24(17-23-9-5-4-6-10-23)18-27(26)25-11-7-8-12-28(25)33(29)31/h4-16,18-19H,17H2,1-3H3.
What are the key properties of 10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine?
10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine has a molecular weight of 426.56 g/mol, XLogP of 7.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 59358314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).